N,N-diethyl-5-phenylthiadiazole-4-carboxamide

C13H15N3OS — CID 71688661

IUPACN,N-diethyl-5-phenylthiadiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nnsc1-c1ccccc1
InChIInChI=1S/C13H15N3OS/c1-3-16(4-2)13(17)11-12(18-15-14-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeySCUZZOQYOYWKTL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.69
Rot. Bonds4

About N,N-diethyl-5-phenylthiadiazole-4-carboxamide

N,N-diethyl-5-phenylthiadiazole-4-carboxamide (PubChem CID 71688661) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N,N-diethyl-5-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-phenylthiadiazole-4-carboxamide
PubChem CID71688661
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN,N-diethyl-5-phenylthiadiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nnsc1-c1ccccc1
InChIInChI=1S/C13H15N3OS/c1-3-16(4-2)13(17)11-12(18-15-14-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeySCUZZOQYOYWKTL-UHFFFAOYSA-N
XLogP2.69
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-phenylthiadiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-phenylthiadiazole-4-carboxamide (CID 71688661) is N,N-diethyl-5-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-phenylthiadiazole-4-carboxamide is CCN(CC)C(=O)c1nnsc1-c1ccccc1.
What is the InChIKey of N,N-diethyl-5-phenylthiadiazole-4-carboxamide?
The InChIKey is SCUZZOQYOYWKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-16(4-2)13(17)11-12(18-15-14-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-phenylthiadiazole-4-carboxamide?
N,N-diethyl-5-phenylthiadiazole-4-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 71688661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).